1,3-dihydroimidazol-2-one

C3H4N2O — CID 22208

IUPAC1,3-dihydroimidazol-2-one
SMILESO=c1[nH]cc[nH]1
InChIInChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)
InChIKeyAICIYIDUYNFPRY-UHFFFAOYSA-N
MW84.08 g/mol
LogP-0.30
Rot. Bonds

About 1,3-dihydroimidazol-2-one

1,3-dihydroimidazol-2-one (PubChem CID 22208) has the molecular formula C3H4N2O and a molecular weight of 84.08 g/mol. Its IUPAC name is 1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name1,3-dihydroimidazol-2-one
PubChem CID22208
Molecular FormulaC3H4N2O
Molecular Weight84.08 g/mol
Exact Mass84.03
IUPAC Name1,3-dihydroimidazol-2-one
SMILESO=c1[nH]cc[nH]1
InChIInChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)
InChIKeyAICIYIDUYNFPRY-UHFFFAOYSA-N
XLogP-0.30
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.08
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroimidazol-2-one?
The IUPAC name of 1,3-dihydroimidazol-2-one (CID 22208) is 1,3-dihydroimidazol-2-one.
What is the SMILES notation for 1,3-dihydroimidazol-2-one?
The canonical SMILES for 1,3-dihydroimidazol-2-one is O=c1[nH]cc[nH]1.
What is the InChIKey of 1,3-dihydroimidazol-2-one?
The InChIKey is AICIYIDUYNFPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6).
What are the key properties of 1,3-dihydroimidazol-2-one?
1,3-dihydroimidazol-2-one has a molecular weight of 84.08 g/mol, XLogP of -0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroimidazol-2-one is sourced from PubChem (CID 22208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).